"Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium ..."

Steffen Wolf et al. (2019)

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DOI: 10.1021/ACS.JCIM.9B00592

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type: Journal Article

metadata version: 2021-06-01

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Steffen Wolf, Marta Amaral, Maryse Lowinski, Francois Vallée, Djordje Musil, Jörn Güldenhaupt, Matthias K. Dreyer, Jörg Bomke, Matthias Frech, Jürgen Schlitter, Klaus Gerwert:
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations. J. Chem. Inf. Model. 59(12): 5135-5147 (2019)

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